Glycoside

GD007277
Name:
NoneFormula:
C22H31O15N10P3S3Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(O)(=S)OC(COP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)OP(O)(O)=S)[C@H](O)[C@H]1OAglycone:
COP(O)(=S)OCC(OP(O)(O)=S)OP(O)(=S)OC.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 25 | RingCount: | 6 |
HBD: | 12 | FractionCSP3: | 0.55 |
AlogP: | -2.88 | Num_rotatable_bonds: | 15 |
MolWt: | 864.67 | Num_heavy_atoms: | 53 |
TPSA: | 365.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2HBA: | 5 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
MolWt: | 134.12 | Num_heavy_atoms: | 10 |
TPSA: | 78.26 | NumAromaticRings: | 1 |
AD05935
Formula: C4H13O9P3S3
Smiles:
COP(O)(=S)OCC(OP(O)(O)=S)OP(O)(=S)OCHBA: | 9 | RingCount: | 0 |
HBD: | 4 | FractionCSP3: | 1.0 |
AlogP: | 0.3 | Num_rotatable_bonds: | 9 |
MolWt: | 394.26 | Num_heavy_atoms: | 19 |
TPSA: | 127.07 | NumAromaticRings: | 0 |